Analyte Name

(1R)-1-[3-Hydroxy-3-oxido-8-oxo-10-(2-pyridinyldithio)-2,4-dioxa-7-aza-3-phosphadec-1-yl]-1,2-ethanediyl Ester Hexadecanoic Acid Monosodium Salt

CAS Number

474944-16-6

Molecular Formula

C45 H81 N2 O9 P S2 . Na

Molecular Weight

912.226

Accurate Mass

911.502

SMILES

[Na].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCSSc1ccccn1)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C45H81N2O9PS2.Na.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-44(49)53-39-41(56-45(50)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-55-57(51,52)54-37-36-46-42(48)34-38-58-59-43-31-29-30-35-47-43;;/h29-31,35,41H,3-28,32-34,36-40H2,1-2H3,(H,46,48)(H,51,52);;/t41-;;/m1../s1

IUPAC

[(2R)-2-hexadecanoyloxy-3-[hydroxy-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]phosphoryl]oxypropyl] hexadecanoate;sodium hydride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat